(2S)-2-methyl-4-[(2R,8R,13R,14S)-2,8,13,14-tetrahydroxytriacontyl]-2H-furan-5-one
| Internal ID | 34bc3d5a-4111-461e-b79c-1f985ea010c4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (2S)-2-methyl-4-[(2R,8R,13R,14S)-2,8,13,14-tetrahydroxytriacontyl]-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H66O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-33(38)34(39)26-21-20-23-31(36)22-17-16-18-24-32(37)28-30-27-29(2)41-35(30)40/h27,29,31-34,36-39H,3-26,28H2,1-2H3/t29-,31+,32+,33-,34+/m0/s1 |
| InChI Key | GRCNFEURKCEQGN-FXBHKIKWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H66O6 |
| Molecular Weight | 582.90 g/mol |
| Exact Mass | 582.48593982 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 10.10 |
| There are no found synonyms. |
![2D Structure of (2S)-2-methyl-4-[(2R,8R,13R,14S)-2,8,13,14-tetrahydroxytriacontyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-methyl-4-2r8r13r14s-281314-tetrahydroxytriacontyl-2h-furan-5-one.jpg "2D Structure of (2S)-2-methyl-4-[(2R,8R,13R,14S)-2,8,13,14-tetrahydroxytriacontyl]-2H-furan-5-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.23% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.42% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.02% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.42% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.40% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.17% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.49% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.28% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.97% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.37% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.75% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.93% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.64% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 162902054 |
| LOTUS | LTS0043568 |
| wikiData | Q105015734 |